In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2009 | 23 | Yes |
Popular Name: 2-[(7S)-7-(p-tolyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol 2-[(7S)-7-(p-tolyl)-6,7-dihydro-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.49 | 10.62 | -21.16 | 1 | 5 | 0 | 68 | 304.353 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.49 | 10.84 | -57.39 | 0 | 5 | -1 | 66 | 303.345 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 11.93 | -27.74 | 1 | 5 | 0 | 63 | 304.353 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.49 | 11.39 | -45.31 | 3 | 5 | 1 | 67 | 305.361 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.49 | 9.84 | -31.12 | 2 | 5 | 1 | 65 | 305.361 | 2 | ↓ |